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1-Tosylazepane
SpectraBase Compound ID CBOSDxxWKGX
InChI InChI=1S/C13H19NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h6-9H,2-5,10-11H2,1H3
InChIKey WYGOYZNQMXVUEJ-UHFFFAOYSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aC9rNLm6By
Name 1-Tosylazepane
Comments Less than 3 mono-isotopic peaks
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Formula C13H19NO2S
InChI InChI=1S/C13H19NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h6-9H,2-5,10-11H2,1H3
InChIKey WYGOYZNQMXVUEJ-UHFFFAOYSA-N
Molecular Weight 253.360 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CCCCC1
SPLASH splash10-0006-9010000000-c089e45943b43d22d921
Source of Spectrum F-65-1783-21d
Synonyms 1-(p-tolylsulfonyl)azepane
Wiley ID 1681574